EventsMOL2NET'16, Conference on Molecular, Biomed., Comput. & Network Science and Engineering, 2nd ed.
Event submissions
Published
with-doi10.3390/mol2net-02-14003
This submission belongs to the session 05. NICEXSM-02: North-Ibero-American Congress on Exp. and Simul. Methods, Valencia, Spain-Miami, USA, 2016 of the event MOL2NET'16, Conference on Molecular, Biomed., Comput. & Network Science and Engineering, 2nd ed.
Published date
21 Nov, 2016
Citation
Frederico Fávaro Ribeiro, Francisco Jaime Bezerra Mendonça Junior, Marcelo Sobral da Silva, Marcus Tullius Scotti, Luciana Scotti, Docking study of active flavonoids for Trypanosoma cruzi and Leishmania spp, in Proceedings of MOL2NET'16, Conference on Molecular, Biomed., Comput. & Network Science and Engineering, 2nd ed., 15 October–20 October 2022, MDPI: Basel, Switzerland, doi: 10.3390/mol2net-02-14003
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Docking study of active flavonoids for Trypanosoma cruzi and Leishmania spp

Frederico Fávaro Ribeiro 1
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Francisco Jaime Bezerra Mendonça Junior 2
Marcelo Sobral da Silva 3
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Marcus Tullius Scotti 4
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Luciana Scotti 3
1. Federal University of Pernambuco, Campus I, Recife-PE, Brazil
2. State University of Paraiba, Biological Sciences Department, Laboratory of Synthesis and Drug Delivery, 58070-450, João Pessoa, PB, Brazil
3. Federal University of Paraíba, Campus I, João Pessoa-PB, Brazil
4. Federal University of Paraíba, Campus IV, 58297-000, Rio Tinto-PB, Brazil
Abstract

Flavonoid compounds are normally present on nature being a common constituent of medicinal plants. These natural products have several health benefits, including activity against tropical parasites, such as Trypanosoma cruzi and Leishmania spp. Five flavonoid active against Trypanosoma cruzi and five active against Leishmania species were submitted to molecular docking with the enzymes cruzain and trypanothione reductase from Trypanosoma cruzi and N-myristoyltransferase, dihydroorotate dehydrogenase and trypanothiona reductase from Leishmania spp. Considering the binding energies and interactions between both, compounds and enzymes, the flavonoids chrysin dimethylether  and tamarixetin against T. cruzi, and luteolin and ladanein against Leishmania spp presented the best results. This study hopes to contribute to existing research on these natural products against these tropical parasites.

Keywords
Flavonoids
Molecular Docking
Trypanosoma cruzi
Leishmania.
Poster
Docking study of active flavonoids for Trypanosoma cruzi.pdf
Docking study of active flavonoids for Trypanosoma cruzi.pdf
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